MMsINC Database Search


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MMsINC code: MMs01259749

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

O=C1N(CC(C1)C(=O)Nc1ccccc1Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C25H24N2O2/c28-24-16-22(18-27(24)17-20-11-5-2-6-12-20)25(29)26-23-14-8-7-13-21(23)15-19-9-3-1-4-10-19/h1-14,22H,15-18H2,(H,26,29)/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.5806 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -5.01162	SlogP: 4.53097	Reactive groups: 0

Topological Properties
Globularity: 0.0835746	Sterimol/B1: 2.2451	Sterimol/B2: 2.70988	Sterimol/B3: 5.85382
Sterimol/B4: 8.69703	Sterimol/L: 17.7221

Surface and Volume Properties
Accessible surface: 665.855	Positive charged surface: 394.422	Negative charged surface: 271.433	Volume: 389
Hydrophobic surface: 603.382	Hydrophilic surface: 62.473

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

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.