MMsINC Database Search


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MMsINC code: MMs00990448

Type: Neutral
Formula: C₂₄H₁₈ClNO₂

SMILES:

Clc1cc(-c2nc(cc(c2)-c2ccc(OC)cc2)-c2ccccc2)c(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.96 kcal/mol

Physical Properties
Molecular Weight: 387.866 g/mol	logS: -7.7662	SlogP: 6.4502	Reactive groups: 0

Topological Properties
Globularity: 0.00348466	Sterimol/B1: 2.37168	Sterimol/B2: 2.37868	Sterimol/B3: 7.0449
Sterimol/B4: 8.40214	Sterimol/L: 16.9524

Surface and Volume Properties
Accessible surface: 649.744	Positive charged surface: 316.397	Negative charged surface: 310.302	Volume: 370.125
Hydrophobic surface: 593.703	Hydrophilic surface: 56.041

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.