MMsINC Database Search


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MMsINC code: MMs00610438

Type: Neutral
Formula: C₁₅H₁₈ClNO₃

SMILES:

Clc1ccc(cc1NC(=O)C1CCCCC1)C(OC)=O

InChI:

InChI=1/C15H18ClNO3/c1-20-15(19)11-7-8-12(16)13(9-11)17-14(18)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.8964 kcal/mol

Physical Properties
Molecular Weight: 295.766 g/mol	logS: -4.55751	SlogP: 3.6454	Reactive groups: 0

Topological Properties
Globularity: 0.0504913	Sterimol/B1: 2.12839	Sterimol/B2: 3.29015	Sterimol/B3: 3.81263
Sterimol/B4: 8.39	Sterimol/L: 16.0244

Surface and Volume Properties
Accessible surface: 527.978	Positive charged surface: 346.504	Negative charged surface: 181.473	Volume: 275.625
Hydrophobic surface: 463.848	Hydrophilic surface: 64.13

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.