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MMsINC code: MMs03046374

Type: Neutral
Formula: C₁₉H₁₉ClN₄O

SMILES:

Clc1cc(-n2nc(c3CCCCNc23)-c2cccnc2)c(OC)cc1

InChI:

InChI=1/C19H19ClN4O/c1-25-17-8-7-14(20)11-16(17)24-19-15(6-2-3-10-22-19)18(23-24)13-5-4-9-21-12-13/h4-5,7-9,11-12,22H,2-3,6,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.553 kcal/mol

Physical Properties
Molecular Weight: 354.841 g/mol	logS: -4.15563	SlogP: 4.34447	Reactive groups: 0

Topological Properties
Globularity: 0.0485552	Sterimol/B1: 2.53601	Sterimol/B2: 2.91562	Sterimol/B3: 3.32995
Sterimol/B4: 9.83363	Sterimol/L: 14.6193

Surface and Volume Properties
Accessible surface: 585.654	Positive charged surface: 387.005	Negative charged surface: 198.65	Volume: 330.875
Hydrophobic surface: 535.535	Hydrophilic surface: 50.119

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.