MMsINC Database Search


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MMsINC code: MMs01038998

Type: Neutral
Formula: C₁₉H₁₆ClNO₃

SMILES:

Clc1cccc(NC(=O)C=2Oc3c(cc(cc3C)C)C(=O)C=2)c1C

InChI:

InChI=1/C19H16ClNO3/c1-10-7-11(2)18-13(8-10)16(22)9-17(24-18)19(23)21-15-6-4-5-14(20)12(15)3/h4-9H,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.469 kcal/mol

Physical Properties
Molecular Weight: 341.794 g/mol	logS: -6.30617	SlogP: 4.36296	Reactive groups: 1

Topological Properties
Globularity: 0.0207421	Sterimol/B1: 2.91219	Sterimol/B2: 3.17621	Sterimol/B3: 4.46848
Sterimol/B4: 5.53752	Sterimol/L: 17.1063

Surface and Volume Properties
Accessible surface: 573.109	Positive charged surface: 293.449	Negative charged surface: 279.66	Volume: 312.875
Hydrophobic surface: 496.497	Hydrophilic surface: 76.612

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.