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MMsINC code: MMs02468450

Type: Neutral
Formula: C₁₅H₂₄N₄O

SMILES:

O=C(NCC1N(N(CC1)CC)CC)c1ccc(N)cc1

InChI:

InChI=1/C15H24N4O/c1-3-18-10-9-14(19(18)4-2)11-17-15(20)12-5-7-13(16)8-6-12/h5-8,14H,3-4,9-11,16H2,1-2H3,(H,17,20)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0578 kcal/mol

Physical Properties
Molecular Weight: 276.384 g/mol	logS: -1.69074	SlogP: 1.3297	Reactive groups: 0

Topological Properties
Globularity: 0.0727258	Sterimol/B1: 2.44419	Sterimol/B2: 3.06579	Sterimol/B3: 4.44988
Sterimol/B4: 6.23984	Sterimol/L: 16.014

Surface and Volume Properties
Accessible surface: 536.782	Positive charged surface: 385.273	Negative charged surface: 151.509	Volume: 287.875
Hydrophobic surface: 394.806	Hydrophilic surface: 141.976

Pharmacophoric Properties
Hydrogen bond donors: 2	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.