MMsINC Database Search


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MMsINC code: MMs02864108

Type: Neutral
Formula: C₁₉H₁₄N₂O₂

SMILES:

OC1(N(C(=O)c2c1cccc2)c1ncccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7104 kcal/mol

Physical Properties
Molecular Weight: 302.333 g/mol	logS: -4.04572	SlogP: 3.2469	Reactive groups: 0

Topological Properties
Globularity: 0.164971	Sterimol/B1: 2.42123	Sterimol/B2: 3.17173	Sterimol/B3: 5.09259
Sterimol/B4: 8.4767	Sterimol/L: 13.7225

Surface and Volume Properties
Accessible surface: 506.647	Positive charged surface: 288.581	Negative charged surface: 218.066	Volume: 288.75
Hydrophobic surface: 434.906	Hydrophilic surface: 71.741

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.