MMsINC Database Search


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MMsINC code: MMs01081661

Type: Neutral
Formula: C₂₄H₁₈ClNO₂

SMILES:

Clc1ccc(cc1)-c1nc2c(cccc2C)c(c1)C(Oc1ccc(cc1)C)=O

InChI:

InChI=1/C24H18ClNO2/c1-15-6-12-19(13-7-15)28-24(27)21-14-22(17-8-10-18(25)11-9-17)26-23-16(2)4-3-5-20(21)23/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.249 kcal/mol

Physical Properties
Molecular Weight: 387.866 g/mol	logS: -7.85134	SlogP: 6.39124	Reactive groups: 0

Topological Properties
Globularity: 0.0314129	Sterimol/B1: 3.43006	Sterimol/B2: 3.828	Sterimol/B3: 7.1156
Sterimol/B4: 7.22191	Sterimol/L: 17.3081

Surface and Volume Properties
Accessible surface: 657.932	Positive charged surface: 324.538	Negative charged surface: 323.423	Volume: 367.375
Hydrophobic surface: 618.323	Hydrophilic surface: 39.609

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.