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MMsINC code: MMs02272003

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1Cn1nc2c(cc(C)c(C)c2C(O)=O)c1C

InChI:

InChI=1/C18H16Cl2N2O2/c1-9-6-14-11(3)22(8-12-4-5-13(19)7-15(12)20)21-17(14)16(10(9)2)18(23)24/h4-7H,8H2,1-3H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.5444 kcal/mol

Physical Properties
Molecular Weight: 363.244 g/mol	logS: -6.02872	SlogP: 5.28126	Reactive groups: 0

Topological Properties
Globularity: 0.10733	Sterimol/B1: 3.12328	Sterimol/B2: 3.93175	Sterimol/B3: 4.90831
Sterimol/B4: 7.4147	Sterimol/L: 15.005

Surface and Volume Properties
Accessible surface: 571.186	Positive charged surface: 263.553	Negative charged surface: 302.68	Volume: 320.625
Hydrophobic surface: 458.46	Hydrophilic surface: 112.726

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1

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Ions/Tautomers related molecules

MMs02272004
NCID-ZINC01625177