MMsINC Database Search


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MMsINC code: MMs01415054

Type: Neutral
Formula: C₂₃H₁₈ClNO₃

SMILES:

Clc1ccc(cc1)CNC(=O)c1oc2c(cccc2)c1COc1ccccc1

InChI:

InChI=1/C23H18ClNO3/c24-17-12-10-16(11-13-17)14-25-23(26)22-20(15-27-18-6-2-1-3-7-18)19-8-4-5-9-21(19)28-22/h1-13H,14-15H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.1666 kcal/mol

Physical Properties
Molecular Weight: 391.854 g/mol	logS: -7.44973	SlogP: 6.128	Reactive groups: 0

Topological Properties
Globularity: 0.0722183	Sterimol/B1: 2.27178	Sterimol/B2: 3.78102	Sterimol/B3: 3.85357
Sterimol/B4: 11.3477	Sterimol/L: 18.5381

Surface and Volume Properties
Accessible surface: 689.311	Positive charged surface: 354.902	Negative charged surface: 328.705	Volume: 366.625
Hydrophobic surface: 629.777	Hydrophilic surface: 59.534

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.