MMsINC Database Search


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MMsINC code: MMs02635926

Type: Neutral
Formula: C₁₅H₁₂N₂O₂

SMILES:

O=C(N)c1cc2Cc3cc(ccc3-c2cc1)C(=O)N

InChI:

InChI=1/C15H12N2O2/c16-14(18)8-1-3-12-10(5-8)7-11-6-9(15(17)19)2-4-13(11)12/h1-6H,7H2,(H2,16,18)(H2,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.6566 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -4.78638	SlogP: 1.45557	Reactive groups: 0

Topological Properties
Globularity: 0.00365718	Sterimol/B1: 2.3773	Sterimol/B2: 2.3798	Sterimol/B3: 2.7634
Sterimol/B4: 5.12979	Sterimol/L: 16.1267

Surface and Volume Properties
Accessible surface: 455.896	Positive charged surface: 256.364	Negative charged surface: 187.722	Volume: 236.875
Hydrophobic surface: 249.534	Hydrophilic surface: 206.362

Pharmacophoric Properties
Hydrogen bond donors: 2	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.