MMsINC Database Search


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MMsINC code: MMs02727055

Type: Neutral
Formula: C₂₃H₂₀ClNO₃

SMILES:

Clc1cc(C(=O)c2ccccc2)c(NC(=O)C(Oc2ccc(cc2)C)C)cc1

InChI:

InChI=1/C23H20ClNO3/c1-15-8-11-19(12-9-15)28-16(2)23(27)25-21-13-10-18(24)14-20(21)22(26)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,25,27)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.828 kcal/mol

Physical Properties
Molecular Weight: 393.87 g/mol	logS: -7.03992	SlogP: 5.28542	Reactive groups: 0

Topological Properties
Globularity: 0.105928	Sterimol/B1: 3.6003	Sterimol/B2: 4.74877	Sterimol/B3: 5.85001
Sterimol/B4: 6.05718	Sterimol/L: 18.0315

Surface and Volume Properties
Accessible surface: 664.492	Positive charged surface: 326.244	Negative charged surface: 338.247	Volume: 371.375
Hydrophobic surface: 587.933	Hydrophilic surface: 76.559

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.