MMsINC Database Search


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MMsINC code: MMs01611129

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

O=C(N1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.876 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -5.11227	SlogP: 3.8031	Reactive groups: 0

Topological Properties
Globularity: 0.141333	Sterimol/B1: 3.59278	Sterimol/B2: 4.21459	Sterimol/B3: 5.52245
Sterimol/B4: 6.92314	Sterimol/L: 17.3474

Surface and Volume Properties
Accessible surface: 654.771	Positive charged surface: 394.853	Negative charged surface: 259.918	Volume: 382.125
Hydrophobic surface: 601.053	Hydrophilic surface: 53.718

Pharmacophoric Properties
Hydrogen bond donors: 0	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.