MMsINC Database Search


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MMsINC code: MMs02586900

Type: Neutral
Formula: C₁₁H₁₀ClNO

SMILES:

Clc1nc2c(cccc2OC)c(c1)C

InChI:

InChI=1/C11H10ClNO/c1-7-6-10(12)13-11-8(7)4-3-5-9(11)14-2/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.2439 kcal/mol

Physical Properties
Molecular Weight: 207.66 g/mol	logS: -3.54327	SlogP: 3.20522	Reactive groups: 0

Topological Properties
Globularity: 0.018564	Sterimol/B1: 2.37388	Sterimol/B2: 2.51264	Sterimol/B3: 3.69692
Sterimol/B4: 6.99424	Sterimol/L: 11.72

Surface and Volume Properties
Accessible surface: 399.85	Positive charged surface: 217.869	Negative charged surface: 176.671	Volume: 192.5
Hydrophobic surface: 364.795	Hydrophilic surface: 35.055

Pharmacophoric Properties
Hydrogen bond donors: 0	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.