MMsINC Database Search


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MMsINC code: MMs01397715

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1cc(ccc1O)C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C15H14ClNO2/c1-10-2-4-11(5-3-10)9-17-15(19)12-6-7-14(18)13(16)8-12/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)=50.0249 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.14517	SlogP: 3.55042	Reactive groups: 0

Topological Properties
Globularity: 0.0551837	Sterimol/B1: 3.59236	Sterimol/B2: 3.67242	Sterimol/B3: 4.10639
Sterimol/B4: 5.72362	Sterimol/L: 15.8299

Surface and Volume Properties
Accessible surface: 518.872	Positive charged surface: 267.79	Negative charged surface: 251.082	Volume: 258.5
Hydrophobic surface: 424.584	Hydrophilic surface: 94.288

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.