MMsINC Database Search


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MMsINC code: MMs02082556

Type: Neutral
Formula: C₁₄H₂₀N₄O₃

SMILES:

O=C(Nc1ccc(NC(=O)C)cc1)C(=O)NCCN(C)C

InChI:

InChI=1/C14H20N4O3/c1-10(19)16-11-4-6-12(7-5-11)17-14(21)13(20)15-8-9-18(2)3/h4-7H,8-9H2,1-3H3,(H,15,20)(H,16,19)(H,17,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.2905 kcal/mol

Physical Properties
Molecular Weight: 292.339 g/mol	logS: -1.86688	SlogP: 0.2613	Reactive groups: 0

Topological Properties
Globularity: 0.021254	Sterimol/B1: 2.51868	Sterimol/B2: 2.9879	Sterimol/B3: 3.6023
Sterimol/B4: 5.81901	Sterimol/L: 19.9537

Surface and Volume Properties
Accessible surface: 569.866	Positive charged surface: 416.632	Negative charged surface: 153.234	Volume: 282.375
Hydrophobic surface: 415.398	Hydrophilic surface: 154.468

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs02082557
IFLAB-ZINC05250893