MMsINC Database Search


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MMsINC code: MMs02227514

Type: Neutral
Formula: C₂₃H₁₈ClNO₂

SMILES:

Clc1ccc(cc1)CNC(OCc1c2c(cc3c1cccc3)cccc2)=O

InChI:

InChI=1/C23H18ClNO2/c24-19-11-9-16(10-12-19)14-25-23(26)27-15-22-20-7-3-1-5-17(20)13-18-6-2-4-8-21(18)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)=64.6298 kcal/mol

Physical Properties
Molecular Weight: 375.855 g/mol	logS: -7.86578	SlogP: 6.6056	Reactive groups: 0

Topological Properties
Globularity: 0.0825321	Sterimol/B1: 2.42916	Sterimol/B2: 4.17884	Sterimol/B3: 4.89238
Sterimol/B4: 9.62253	Sterimol/L: 17.2135

Surface and Volume Properties
Accessible surface: 660.424	Positive charged surface: 316.158	Negative charged surface: 322.686	Volume: 354.625
Hydrophobic surface: 591.474	Hydrophilic surface: 68.95

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.