MMsINC Database Search


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MMsINC code: MMs02623282

Type: Neutral
Formula: C₂₄H₁₈ClNO₂

SMILES:

Clc1ccccc1COC(=O)c1c2c(nc(-c3ccccc3)c1C)cccc2

InChI:

InChI=1/C24H18ClNO2/c1-16-22(24(27)28-15-18-11-5-7-13-20(18)25)19-12-6-8-14-21(19)26-23(16)17-9-3-2-4-10-17/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.167 kcal/mol

Physical Properties
Molecular Weight: 387.866 g/mol	logS: -7.41299	SlogP: 6.48702	Reactive groups: 0

Topological Properties
Globularity: 0.0931321	Sterimol/B1: 3.33456	Sterimol/B2: 4.04981	Sterimol/B3: 5.59422
Sterimol/B4: 8.68495	Sterimol/L: 17.3604

Surface and Volume Properties
Accessible surface: 648.74	Positive charged surface: 313.87	Negative charged surface: 328.401	Volume: 368.75
Hydrophobic surface: 605.296	Hydrophilic surface: 43.444

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.