MMsINC Database Search


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MMsINC code: MMs00351995

Type: Neutral
Formula: C₂₄H₁₆ClNO₂

SMILES:

Clc1ccccc1N1C(=O)C2C(C3c4c(C2c2c3cccc2)cccc4)C1=O

InChI:

InChI=1/C24H16ClNO2/c25-17-11-5-6-12-18(17)26-23(27)21-19-13-7-1-2-8-14(13)20(22(21)24(26)28)16-10-4-3-9-15(16)19/h1-12,19-22H/t19-,20+,21-,22+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.18 kcal/mol

Physical Properties
Molecular Weight: 385.85 g/mol	logS: -5.91704	SlogP: 4.7366	Reactive groups: 0

Topological Properties
Globularity: 0.156857	Sterimol/B1: 3.30888	Sterimol/B2: 4.68564	Sterimol/B3: 4.84537
Sterimol/B4: 6.21364	Sterimol/L: 15.8195

Surface and Volume Properties
Accessible surface: 572.21	Positive charged surface: 281.536	Negative charged surface: 290.673	Volume: 349.625
Hydrophobic surface: 520.339	Hydrophilic surface: 51.871

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.