MMsINC Database Search


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MMsINC code: MMs00608017

Type: Neutral
Formula: C₁₇H₁₀N₂O₂

SMILES:

O=C1N(C(=O)c2c1cccc2)c1c2ncccc2ccc1

InChI:

InChI=1/C17H10N2O2/c20-16-12-7-1-2-8-13(12)17(21)19(16)14-9-3-5-11-6-4-10-18-15(11)14/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.5473 kcal/mol

Physical Properties
Molecular Weight: 274.279 g/mol	logS: -4.34713	SlogP: 3.0354	Reactive groups: 0

Topological Properties
Globularity: 0.0960389	Sterimol/B1: 3.30497	Sterimol/B2: 4.63471	Sterimol/B3: 4.6904
Sterimol/B4: 5.29043	Sterimol/L: 14.0663

Surface and Volume Properties
Accessible surface: 486.261	Positive charged surface: 257.223	Negative charged surface: 223.502	Volume: 254.375
Hydrophobic surface: 406.917	Hydrophilic surface: 79.344

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: 1

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Ions/Tautomers related molecules: no related molecules available.