MMsINC Database Search


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MMsINC code: MMs02216440

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1ccc(NC(Oc2c(cccc2C)C)=O)cc1

InChI:

InChI=1/C15H14ClNO2/c1-10-4-3-5-11(2)14(10)19-15(18)17-13-8-6-12(16)7-9-13/h3-9H,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3238 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.45135	SlogP: 4.56774	Reactive groups: 0

Topological Properties
Globularity: 0.0953462	Sterimol/B1: 2.2112	Sterimol/B2: 2.37151	Sterimol/B3: 4.79455
Sterimol/B4: 6.93608	Sterimol/L: 15.3402

Surface and Volume Properties
Accessible surface: 503.545	Positive charged surface: 250.26	Negative charged surface: 253.285	Volume: 258.125
Hydrophobic surface: 463.426	Hydrophilic surface: 40.119

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.