MMsINC Database Search


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MMsINC code: MMs02860382

Type: Neutral
Formula: C₁₉H₁₇ClN₂O₃

SMILES:

Clc1ccc(cc1)C(=O)n1c2c(cc(OC)cc2)c(CC(=O)N)c1C

InChI:

InChI=1/C19H17ClN2O3/c1-11-15(10-18(21)23)16-9-14(25-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H2,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.625 kcal/mol

Physical Properties
Molecular Weight: 356.809 g/mol	logS: -5.13565	SlogP: 3.32799	Reactive groups: 0

Topological Properties
Globularity: 0.120661	Sterimol/B1: 3.35754	Sterimol/B2: 3.91788	Sterimol/B3: 4.59658
Sterimol/B4: 8.9188	Sterimol/L: 14.8707

Surface and Volume Properties
Accessible surface: 595.728	Positive charged surface: 329.003	Negative charged surface: 263.965	Volume: 325.125
Hydrophobic surface: 457.51	Hydrophilic surface: 138.218

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.