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MMsINC code: MMs01178422

Type: Neutral
Formula: C₁₉H₂₀N₄O

SMILES:

O=C(N(Cc1n(c2c(c1)cccc2)C)C1CC1)c1ncc(nc1)C

InChI:

InChI=1/C19H20N4O/c1-13-10-21-17(11-20-13)19(24)23(15-7-8-15)12-16-9-14-5-3-4-6-18(14)22(16)2/h3-6,9-11,15H,7-8,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.225 kcal/mol

Physical Properties
Molecular Weight: 320.396 g/mol	logS: -2.03216	SlogP: 3.70712	Reactive groups: 0

Topological Properties
Globularity: 0.136386	Sterimol/B1: 2.43556	Sterimol/B2: 3.52672	Sterimol/B3: 4.0495
Sterimol/B4: 9.81194	Sterimol/L: 14.5472

Surface and Volume Properties
Accessible surface: 552.141	Positive charged surface: 358.95	Negative charged surface: 187.509	Volume: 315.625
Hydrophobic surface: 462.845	Hydrophilic surface: 89.296

Pharmacophoric Properties
Hydrogen bond donors: 0	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.