MMsINC Database Search


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MMsINC code: MMs02367335

Type: Neutral
Formula: C₁₄H₁₀ClNO₂

SMILES:

Clc1ccc(cc1)-c1[nH]c2c(c1)c(O)ccc2O

InChI:

InChI=1/C14H10ClNO2/c15-9-3-1-8(2-4-9)11-7-10-12(17)5-6-13(18)14(10)16-11/h1-7,16-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.5234 kcal/mol

Physical Properties
Molecular Weight: 259.692 g/mol	logS: -4.08035	SlogP: 3.8995	Reactive groups: 0

Topological Properties
Globularity: 0.00444018	Sterimol/B1: 2.13481	Sterimol/B2: 2.20965	Sterimol/B3: 3.34104
Sterimol/B4: 5.72687	Sterimol/L: 15.0272

Surface and Volume Properties
Accessible surface: 458.46	Positive charged surface: 212.647	Negative charged surface: 240.252	Volume: 230.125
Hydrophobic surface: 343.509	Hydrophilic surface: 114.951

Pharmacophoric Properties
Hydrogen bond donors: 3	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.