MMsINC Database Search


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MMsINC code: MMs00537645

Type: Neutral
Formula: C₂₄H₂₁ClN₂O

SMILES:

Clc1ccc(cc1)\C=N\c1cc2nc(oc2cc1)-c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C24H21ClN2O/c1-24(2,3)18-8-6-17(7-9-18)23-27-21-14-20(12-13-22(21)28-23)26-15-16-4-10-19(25)11-5-16/h4-15H,1-3H3/b26-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.407 kcal/mol

Physical Properties
Molecular Weight: 388.898 g/mol	logS: -9.37916	SlogP: 7.1963	Reactive groups: 0

Topological Properties
Globularity: 0.0184901	Sterimol/B1: 2.39421	Sterimol/B2: 4.42195	Sterimol/B3: 4.49824
Sterimol/B4: 4.82525	Sterimol/L: 23.241

Surface and Volume Properties
Accessible surface: 685.854	Positive charged surface: 375.859	Negative charged surface: 309.995	Volume: 381
Hydrophobic surface: 578.71	Hydrophilic surface: 107.144

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.