MMsINC Database Search


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MMsINC code: MMs02673190

Type: Neutral
Formula: C₁₅H₁₀ClNO

SMILES:

Clc1ccc(cc1)-c1nc2c(cc1O)cccc2

InChI:

InChI=1/C15H10ClNO/c16-12-7-5-10(6-8-12)15-14(18)9-11-3-1-2-4-13(11)17-15/h1-9,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0505 kcal/mol

Physical Properties
Molecular Weight: 255.704 g/mol	logS: -4.74094	SlogP: 4.2608	Reactive groups: 0

Topological Properties
Globularity: 0.0247889	Sterimol/B1: 2.64865	Sterimol/B2: 2.6741	Sterimol/B3: 3.99418
Sterimol/B4: 4.49508	Sterimol/L: 15.3946

Surface and Volume Properties
Accessible surface: 462.508	Positive charged surface: 217.341	Negative charged surface: 236.591	Volume: 233.875
Hydrophobic surface: 407.848	Hydrophilic surface: 54.66

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.