MMsINC Database Search


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MMsINC code: MMs00004107

Type: Neutral
Formula: C₁₀H₇Cl₂NO

SMILES:

Clc1cc(Cl)c2c(nc(cc2)C)c1O

InChI:

InChI=1/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.148 kcal/mol

Physical Properties
Molecular Weight: 228.078 g/mol	logS: -3.39344	SlogP: 3.55562	Reactive groups: 0

Topological Properties
Globularity: 0.0169334	Sterimol/B1: 2.19624	Sterimol/B2: 2.51489	Sterimol/B3: 3.68709
Sterimol/B4: 5.96215	Sterimol/L: 11.6423

Surface and Volume Properties
Accessible surface: 394.074	Positive charged surface: 167.626	Negative charged surface: 220.856	Volume: 189.25
Hydrophobic surface: 336.358	Hydrophilic surface: 57.716

Pharmacophoric Properties
Hydrogen bond donors: 1	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.