MMsINC Database Search


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MMsINC code: MMs00518425

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1ccc(cc1)C(=O)NC(C)c1ccc(O)cc1

InChI:

InChI=1/C15H14ClNO2/c1-10(11-4-8-14(18)9-5-11)17-15(19)12-2-6-13(16)7-3-12/h2-10,18H,1H3,(H,17,19)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.1861 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -3.99846	SlogP: 3.6321	Reactive groups: 0

Topological Properties
Globularity: 0.0635708	Sterimol/B1: 2.14306	Sterimol/B2: 2.30288	Sterimol/B3: 4.65587
Sterimol/B4: 6.39993	Sterimol/L: 15.9201

Surface and Volume Properties
Accessible surface: 507.24	Positive charged surface: 246.036	Negative charged surface: 261.203	Volume: 259.125
Hydrophobic surface: 403.421	Hydrophilic surface: 103.819

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.