MMsINC Database Search


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MMsINC code: MMs02865102

Type: Neutral
Formula: C₁₉H₁₄N₂O₂

SMILES:

OC1(N(C(=O)c2c1cccc2)c1ccncc1)c1ccccc1

InChI:

InChI=1/C19H14N2O2/c22-18-16-8-4-5-9-17(16)19(23,14-6-2-1-3-7-14)21(18)15-10-12-20-13-11-15/h1-13,23H/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1191 kcal/mol

Physical Properties
Molecular Weight: 302.333 g/mol	logS: -3.73446	SlogP: 3.2469	Reactive groups: 0

Topological Properties
Globularity: 0.191387	Sterimol/B1: 2.50208	Sterimol/B2: 3.12481	Sterimol/B3: 5.21494
Sterimol/B4: 8.4249	Sterimol/L: 13.0295

Surface and Volume Properties
Accessible surface: 504.385	Positive charged surface: 296.16	Negative charged surface: 208.225	Volume: 287.625
Hydrophobic surface: 430.105	Hydrophilic surface: 74.28

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.