MMsINC Database Search


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MMsINC code: MMs00859385

Type: Neutral
Formula: C₂₃H₂₀ClNO₃

SMILES:

Clc1cc(C(=O)c2ccccc2)c(NC(=O)COc2cc(cc(c2)C)C)cc1

InChI:

InChI=1/C23H20ClNO3/c1-15-10-16(2)12-19(11-15)28-14-22(26)25-21-9-8-18(24)13-20(21)23(27)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.915 kcal/mol

Physical Properties
Molecular Weight: 393.87 g/mol	logS: -7.18663	SlogP: 5.20534	Reactive groups: 0

Topological Properties
Globularity: 0.0925032	Sterimol/B1: 2.49411	Sterimol/B2: 4.39475	Sterimol/B3: 6.4766
Sterimol/B4: 8.08326	Sterimol/L: 17.7379

Surface and Volume Properties
Accessible surface: 682	Positive charged surface: 349.556	Negative charged surface: 332.444	Volume: 373.125
Hydrophobic surface: 611.937	Hydrophilic surface: 70.063

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.