MMsINC Database Search


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MMsINC code: MMs00628619

Type: Neutral
Formula: C₁₅H₁₄ClNO₃

SMILES:

Clc1cc(NC(=O)\C=C\c2oc(cc2)C)c(OC)cc1

InChI:

InChI=1/C15H14ClNO3/c1-10-3-5-12(20-10)6-8-15(18)17-13-9-11(16)4-7-14(13)19-2/h3-9H,1-2H3,(H,17,18)/b8-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.667 kcal/mol

Physical Properties
Molecular Weight: 291.734 g/mol	logS: -4.71032	SlogP: 3.90192	Reactive groups: 0

Topological Properties
Globularity: 0.0163595	Sterimol/B1: 2.2892	Sterimol/B2: 3.29548	Sterimol/B3: 3.60987
Sterimol/B4: 7.47686	Sterimol/L: 16.2614

Surface and Volume Properties
Accessible surface: 546.941	Positive charged surface: 303.665	Negative charged surface: 243.276	Volume: 266.75
Hydrophobic surface: 493.53	Hydrophilic surface: 53.411

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.