MMsINC Database Search


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MMsINC code: MMs02306655

Type: Neutral
Formula: C₁₁H₁₀N₂O₂

SMILES:

O=C1NC(=O)NC=C1Cc1ccccc1

InChI:

InChI=1/C11H10N2O2/c14-10-9(7-12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.08928 kcal/mol

Physical Properties
Molecular Weight: 202.213 g/mol	logS: -2.25201	SlogP: 0.95237	Reactive groups: 0

Topological Properties
Globularity: 0.1502	Sterimol/B1: 2.43081	Sterimol/B2: 3.70858	Sterimol/B3: 3.93683
Sterimol/B4: 4.62881	Sterimol/L: 12.0459

Surface and Volume Properties
Accessible surface: 386.055	Positive charged surface: 218.778	Negative charged surface: 167.277	Volume: 187.875
Hydrophobic surface: 242.054	Hydrophilic surface: 144.001

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.