MMsINC Database Search


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MMsINC code: MMs02711484

Type: Neutral
Formula: C₁₉H₁₈ClN₃O₃

SMILES:

Clc1cc2c(N(C)C(=O)C(OC(=O)N(C)C)N=C2c2ccccc2)cc1

InChI:

InChI=1/C19H18ClN3O3/c1-22(2)19(25)26-17-18(24)23(3)15-10-9-13(20)11-14(15)16(21-17)12-7-5-4-6-8-12/h4-11,17H,1-3H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.166 kcal/mol

Physical Properties
Molecular Weight: 371.824 g/mol	logS: -4.55582	SlogP: 3.1781	Reactive groups: 0

Topological Properties
Globularity: 0.378679	Sterimol/B1: 2.05402	Sterimol/B2: 3.53808	Sterimol/B3: 8.00389
Sterimol/B4: 9.24494	Sterimol/L: 13.4269

Surface and Volume Properties
Accessible surface: 594.977	Positive charged surface: 371.235	Negative charged surface: 223.742	Volume: 338.125
Hydrophobic surface: 522.589	Hydrophilic surface: 72.388

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

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Ions/Tautomers related molecules: no related molecules available.