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MMsINC code: MMs01671502

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

O=C1N(CCC1)Cc1ccc(cc1)C(=O)Nc1ccccc1Cc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2999 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -5.43047	SlogP: 4.91847	Reactive groups: 0

Topological Properties
Globularity: 0.0750185	Sterimol/B1: 2.2907	Sterimol/B2: 2.52451	Sterimol/B3: 4.89032
Sterimol/B4: 8.82641	Sterimol/L: 17.2826

Surface and Volume Properties
Accessible surface: 662.327	Positive charged surface: 407.264	Negative charged surface: 255.063	Volume: 388.5
Hydrophobic surface: 593.315	Hydrophilic surface: 69.012

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.