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MolName : N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-2-pyrrol-1-ylbenzamide

MolecularFormula : C26H25N5O3

Smiles : O=C(Cn1c(cccc2)c2c(/C=N\NC(c(cccc2)c2-n2cccc2)=O)c1)N1CCOCC1

InChI : InChI=1S/C26H25N5O3/c32-25(30-13-15-34-16-14-30)19-31-18-20(21-7-1-3-9-23(21)31)17-27-28-26(33)22-8-2-4-10-24(22)29-11-5-6-12-29/h1-12,17-18H,13-16,19H2,(H,28,33)

InChIK : YJINNVCPGWFLSG-UHFFFAOYSA-N

TotalMolweight : 455.517

Molweight : 455.517

MonoisotopicMass : 455.19574

CLogP : 2.7276

CLogS : -5.399

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 353.1

Relative PSA : 0.2162

PolarSurfaceArea : 80.86

Druglikeness : 6.3016

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.52941

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 6

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 20

Sp3Atoms : 6

Symmetricatoms : 4

Amides : 1

Aromatic Nitrogens : 2

StereoCon :