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MMsINC code: MMs01389159

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

O(c1cc(NC(=O)CN2CCC(=CC2)c2ccccc2)ccc1)c1ccccc1

InChI:

InChI=1/C25H24N2O2/c28-25(19-27-16-14-21(15-17-27)20-8-3-1-4-9-20)26-22-10-7-13-24(18-22)29-23-11-5-2-6-12-23/h1-14,18H,15-17,19H2,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.393 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -5.58164	SlogP: 5.2067	Reactive groups: 0

Topological Properties
Globularity: 0.0378126	Sterimol/B1: 2.097	Sterimol/B2: 3.59848	Sterimol/B3: 3.96897
Sterimol/B4: 6.75787	Sterimol/L: 22.398

Surface and Volume Properties
Accessible surface: 709.753	Positive charged surface: 451.067	Negative charged surface: 258.687	Volume: 387.5
Hydrophobic surface: 656.372	Hydrophilic surface: 53.381

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01389160
ENAMINE-ZINC03350329