MMsINC Database Search


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MMsINC code: MMs00190865

Type: Neutral
Formula: C₂₄H₁₆ClN₃O₂

SMILES:

Clc1ccc(cc1)-c1oc(cc1)C(=O)Nc1ccc(cc1)-c1[nH]c2c(n1)cccc2

InChI:

InChI=1/C24H16ClN3O2/c25-17-9-5-15(6-10-17)21-13-14-22(30-21)24(29)26-18-11-7-16(8-12-18)23-27-19-3-1-2-4-20(19)28-23/h1-14H,(H,26,29)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.5826 kcal/mol

Physical Properties
Molecular Weight: 413.864 g/mol	logS: -9.34127	SlogP: 6.3956	Reactive groups: 0

Topological Properties
Globularity: 0.0080984	Sterimol/B1: 2.6973	Sterimol/B2: 2.86403	Sterimol/B3: 3.9596
Sterimol/B4: 5.71813	Sterimol/L: 23.6477

Surface and Volume Properties
Accessible surface: 705.731	Positive charged surface: 345.001	Negative charged surface: 360.731	Volume: 379.625
Hydrophobic surface: 624.328	Hydrophilic surface: 81.403

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 0

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Ions/Tautomers related molecules: no related molecules available.