[2-(cyclohexylamino)-2-oxoethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Formula:C30H30N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-(cyclohexylamino)-2-oxoethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is not a drug-like molecule.

MolName	[2-(cyclohexylamino)-2-oxoethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
MolecularFormula	C30H30N2O5
Smiles	O=C(COC(c1c(CCC/C2=C\c(cc3)cc4c3OCO4)c2nc2ccccc12)=O)NC1CCCCC1
InChI	InChI=1S/C30H30N2O5/c33-27(31-21-8-2-1-3-9-21)17-35-30(34)28-22-10-4-5-12-24(22)32-29-20(7-6-11-23(28)29)15-19-13-14-25-26(16-19)37-18-36-25/h4-5,10,12-16,21H,1-3,6-9,11,17-18H2,(H,31,33)
InChIK	IGKNKRFQWUDOIP-UHFFFAOYSA-N
TotalMolweight	498.577
Molweight	498.577
MonoisotopicMass	498.215473
CLogP	5.347
CLogS	-6.993
H Acceptors	7
H Donors	1
TotalSurfaceArea	377.65
Relative PSA	0.20789
PolarSurfaceArea	86.75
Druglikeness	-1.3255
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	14
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - [2-(cyclohexylamino)-2-oxoethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate | 2 - [2-(cyclohexylamino)-2-oxoethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

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