MMsINC Database Search


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MMsINC code: MMs01855602

Type: Neutral
Formula: C₁₉H₁₄ClN₃O₂

SMILES:

Clc1cc2c3nc(nc(Nc4ccc(cc4)C(=O)C)c3oc2cc1)C

InChI:

InChI=1/C19H14ClN3O2/c1-10(24)12-3-6-14(7-4-12)23-19-18-17(21-11(2)22-19)15-9-13(20)5-8-16(15)25-18/h3-9H,1-2H3,(H,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.9627 kcal/mol

Physical Properties
Molecular Weight: 351.793 g/mol	logS: -6.51898	SlogP: 5.28402	Reactive groups: 0

Topological Properties
Globularity: 0.0192928	Sterimol/B1: 2.05585	Sterimol/B2: 2.15111	Sterimol/B3: 3.4983
Sterimol/B4: 8.24274	Sterimol/L: 19.3032

Surface and Volume Properties
Accessible surface: 590.799	Positive charged surface: 310	Negative charged surface: 275.645	Volume: 314.25
Hydrophobic surface: 483.041	Hydrophilic surface: 107.758

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.