MMsINC Database Search


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MMsINC code: MMs01571922

Type: Neutral
Formula: C₂₃H₁₈ClNO₂

SMILES:

Clc1ccc(cc1)-c1cc2n(C=CC=C2)c1C(=O)c1ccccc1OCC

InChI:

InChI=1/C23H18ClNO2/c1-2-27-21-9-4-3-8-19(21)23(26)22-20(16-10-12-17(24)13-11-16)15-18-7-5-6-14-25(18)22/h3-15H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.606 kcal/mol

Physical Properties
Molecular Weight: 375.855 g/mol	logS: -6.53981	SlogP: 5.9357	Reactive groups: 0

Topological Properties
Globularity: 0.261957	Sterimol/B1: 2.01376	Sterimol/B2: 4.356	Sterimol/B3: 7.53508
Sterimol/B4: 9.53312	Sterimol/L: 14.5555

Surface and Volume Properties
Accessible surface: 634.386	Positive charged surface: 329.378	Negative charged surface: 305.009	Volume: 358.875
Hydrophobic surface: 593.169	Hydrophilic surface: 41.217

Pharmacophoric Properties
Hydrogen bond donors: 0	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.