MMsINC Database Search


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MMsINC code: MMs02938799

Type: Neutral
Formula: C₂₃H₁₆ClNO₃

SMILES:

Clc1cc2C=C(C(=O)NC(c3ccccc3)c3ccccc3)C(Oc2cc1)=O

InChI:

InChI=1/C23H16ClNO3/c24-18-11-12-20-17(13-18)14-19(23(27)28-20)22(26)25-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,21H,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.6384 kcal/mol

Physical Properties
Molecular Weight: 389.838 g/mol	logS: -7.22325	SlogP: 4.6437	Reactive groups: 0

Topological Properties
Globularity: 0.102258	Sterimol/B1: 2.30153	Sterimol/B2: 3.85249	Sterimol/B3: 4.48665
Sterimol/B4: 9.09974	Sterimol/L: 17.0373

Surface and Volume Properties
Accessible surface: 638.35	Positive charged surface: 292.115	Negative charged surface: 346.236	Volume: 357.75
Hydrophobic surface: 560.846	Hydrophilic surface: 77.504

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.