MMsINC Database Search


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MMsINC code: MMs00060064

Type: Neutral
Formula: C₁₈H₁₅NO₂

SMILES:

o1cccc1C(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C18H15NO2/c20-18(16-12-7-13-21-16)19-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,17H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.7807 kcal/mol

Physical Properties
Molecular Weight: 277.323 g/mol	logS: -4.81838	SlogP: 3.8945	Reactive groups: 0

Topological Properties
Globularity: 0.196631	Sterimol/B1: 2.43513	Sterimol/B2: 3.29828	Sterimol/B3: 4.6384
Sterimol/B4: 8.96195	Sterimol/L: 13.6907

Surface and Volume Properties
Accessible surface: 531.428	Positive charged surface: 267.014	Negative charged surface: 264.414	Volume: 275.5
Hydrophobic surface: 487.799	Hydrophilic surface: 43.629

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.