MMsINC Database Search


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MMsINC code: MMs01793520

Type: Neutral
Formula: C₂₄H₁₇ClN₂O

SMILES:

Clc1cc(ccc1)COc1cc(ccc1)-c1nccc2c1[nH]c1c2cccc1

InChI:

InChI=1/C24H17ClN2O/c25-18-7-3-5-16(13-18)15-28-19-8-4-6-17(14-19)23-24-21(11-12-26-23)20-9-1-2-10-22(20)27-24/h1-14,27H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.9401 kcal/mol

Physical Properties
Molecular Weight: 384.866 g/mol	logS: -7.21107	SlogP: 6.8819	Reactive groups: 0

Topological Properties
Globularity: 0.0462779	Sterimol/B1: 4.36438	Sterimol/B2: 4.39887	Sterimol/B3: 4.64115
Sterimol/B4: 5.84414	Sterimol/L: 20.1473

Surface and Volume Properties
Accessible surface: 657.457	Positive charged surface: 326.203	Negative charged surface: 316.053	Volume: 362.125
Hydrophobic surface: 625.927	Hydrophilic surface: 31.53

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.