MMsINC Database Search


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MMsINC code: MMs02628210

Type: Neutral
Formula: C₁₀H₁₂ClNO₂

SMILES:

Clc1ccc(cc1)CCNC(OC)=O

InChI:

InChI=1/C10H12ClNO2/c1-14-10(13)12-7-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.0947 kcal/mol

Physical Properties
Molecular Weight: 213.664 g/mol	logS: -2.40359	SlogP: 2.23847	Reactive groups: 0

Topological Properties
Globularity: 0.063471	Sterimol/B1: 2.9117	Sterimol/B2: 3.61934	Sterimol/B3: 3.62017
Sterimol/B4: 3.72962	Sterimol/L: 15.7743

Surface and Volume Properties
Accessible surface: 437.077	Positive charged surface: 260.733	Negative charged surface: 176.344	Volume: 200.625
Hydrophobic surface: 367.904	Hydrophilic surface: 69.173

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.