MMsINC Database Search


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MMsINC code: MMs02700597

Type: Neutral
Formula: C₁₉H₂₄N₄O₂

SMILES:

O(C)c1cc2c3ncnc(N(C)C4CCCCC4)c3[nH]c2cc1OC

InChI:

InChI=1/C19H24N4O2/c1-23(12-7-5-4-6-8-12)19-18-17(20-11-21-19)13-9-15(24-2)16(25-3)10-14(13)22-18/h9-12,22H,4-8H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.903 kcal/mol

Physical Properties
Molecular Weight: 340.427 g/mol	logS: -4.20369	SlogP: 3.8972	Reactive groups: 0

Topological Properties
Globularity: 0.0333039	Sterimol/B1: 2.29124	Sterimol/B2: 3.76251	Sterimol/B3: 4.60591
Sterimol/B4: 6.52077	Sterimol/L: 17.4692

Surface and Volume Properties
Accessible surface: 595.592	Positive charged surface: 484.536	Negative charged surface: 104.93	Volume: 330.25
Hydrophobic surface: 505.066	Hydrophilic surface: 90.526

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.