MMsINC Database Search


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MMsINC code: MMs01412177

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1cc(C)c(NC(=O)c2ccc(cc2)CO)cc1

InChI:

InChI=1/C15H14ClNO2/c1-10-8-13(16)6-7-14(10)17-15(19)12-4-2-11(9-18)3-5-12/h2-8,18H,9H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2103 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.02065	SlogP: 3.65942	Reactive groups: 0

Topological Properties
Globularity: 0.018102	Sterimol/B1: 2.01091	Sterimol/B2: 2.39613	Sterimol/B3: 2.89566
Sterimol/B4: 6.50638	Sterimol/L: 17.1087

Surface and Volume Properties
Accessible surface: 505.988	Positive charged surface: 263.086	Negative charged surface: 242.902	Volume: 257.125
Hydrophobic surface: 412.825	Hydrophilic surface: 93.163

Pharmacophoric Properties
Hydrogen bond donors: 2	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.