MMsINC Database Search


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MMsINC code: MMs02280615

Type: Neutral
Formula: C₂₀H₁₇NO

SMILES:

O=C(NCc1ccccc1-c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H17NO/c22-20(17-11-5-2-6-12-17)21-15-18-13-7-8-14-19(18)16-9-3-1-4-10-16/h1-14H,15H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.8461 kcal/mol

Physical Properties
Molecular Weight: 287.362 g/mol	logS: -5.72529	SlogP: 4.55	Reactive groups: 0

Topological Properties
Globularity: 0.212362	Sterimol/B1: 2.41997	Sterimol/B2: 4.08197	Sterimol/B3: 4.39946
Sterimol/B4: 8.48596	Sterimol/L: 14.2585

Surface and Volume Properties
Accessible surface: 539.052	Positive charged surface: 298.803	Negative charged surface: 237.643	Volume: 296.25
Hydrophobic surface: 500.53	Hydrophilic surface: 38.522

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.