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MMsINC code: MMs02836421

Type: Neutral
Formula: C₂₀H₁₇ClN₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(OC)=O)C(=O)N(C1=O)c1ccc(cc1)CC

InChI:

InChI=1/C20H17ClN2O4/c1-3-12-7-9-15(10-8-12)23-18(24)16(21)17(19(23)25)22-14-6-4-5-13(11-14)20(26)27-2/h4-11,22H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.669 kcal/mol

Physical Properties
Molecular Weight: 384.819 g/mol	logS: -6.381	SlogP: 3.58017	Reactive groups: 1

Topological Properties
Globularity: 0.0335973	Sterimol/B1: 2.28939	Sterimol/B2: 2.63348	Sterimol/B3: 4.89032
Sterimol/B4: 8.08916	Sterimol/L: 20.0338

Surface and Volume Properties
Accessible surface: 638.472	Positive charged surface: 360.365	Negative charged surface: 278.106	Volume: 344.375
Hydrophobic surface: 500.716	Hydrophilic surface: 137.756

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.