MMsINC Database Search


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MMsINC code: MMs02760164

Type: Neutral
Formula: C₂₃H₁₄N₂O₂

SMILES:

O=C1N(C(=O)c2c1c(c1c(c2)cccc1)-c1ccccc1)c1ncccc1

InChI:

InChI=1/C23H14N2O2/c26-22-18-14-16-10-4-5-11-17(16)20(15-8-2-1-3-9-15)21(18)23(27)25(22)19-12-6-7-13-24-19/h1-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3431 kcal/mol

Physical Properties
Molecular Weight: 350.377 g/mol	logS: -7.11597	SlogP: 4.7024	Reactive groups: 0

Topological Properties
Globularity: 0.0377497	Sterimol/B1: 2.54551	Sterimol/B2: 3.40143	Sterimol/B3: 3.41629
Sterimol/B4: 9.99543	Sterimol/L: 16.1335

Surface and Volume Properties
Accessible surface: 578.537	Positive charged surface: 322.835	Negative charged surface: 244.071	Volume: 331
Hydrophobic surface: 505.702	Hydrophilic surface: 72.835

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0

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Ions/Tautomers related molecules: no related molecules available.