MMsINC Database Search


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MMsINC code: MMs00157677

Type: Neutral
Formula: C₁₄H₁₅ClN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)NC(C)C

InChI:

InChI=1/C14H15ClN2O2/c1-8(2)16-14(18)12-9(3)19-17-13(12)10-6-4-5-7-11(10)15/h4-8H,1-3H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3918 kcal/mol

Physical Properties
Molecular Weight: 278.739 g/mol	logS: -4.27464	SlogP: 3.44162	Reactive groups: 0

Topological Properties
Globularity: 0.147304	Sterimol/B1: 2.53925	Sterimol/B2: 3.5904	Sterimol/B3: 4.42825
Sterimol/B4: 8.45988	Sterimol/L: 12.114

Surface and Volume Properties
Accessible surface: 497.251	Positive charged surface: 253.045	Negative charged surface: 244.207	Volume: 261.125
Hydrophobic surface: 409.532	Hydrophilic surface: 87.719

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.