MMsINC Database Search


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MMsINC code: MMs02135453

Type: Neutral
Formula: C₁₅H₂₀N₄O

SMILES:

O=C(NN)c1n(nc(c1)C(C)(C)C)Cc1ccccc1

InChI:

InChI=1/C15H20N4O/c1-15(2,3)13-9-12(14(20)17-16)19(18-13)10-11-7-5-4-6-8-11/h4-9H,10,16H2,1-3H3,(H,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.2251 kcal/mol

Physical Properties
Molecular Weight: 272.352 g/mol	logS: -2.7865	SlogP: 2.0988	Reactive groups: 0

Topological Properties
Globularity: 0.159818	Sterimol/B1: 2.19509	Sterimol/B2: 5.06049	Sterimol/B3: 5.90933
Sterimol/B4: 6.89817	Sterimol/L: 11.2338

Surface and Volume Properties
Accessible surface: 521.947	Positive charged surface: 330.269	Negative charged surface: 191.678	Volume: 275.5
Hydrophobic surface: 338.628	Hydrophilic surface: 183.319

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.