MMsINC Database Search


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MMsINC code: MMs03913160

Type: Neutral
Formula: C₁₉H₁₈N₄O₃

SMILES:

O(CCn1c2c(nc1)N(C)C(=O)N(C)C2=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H18N4O3/c1-21-17-16(18(24)22(2)19(21)25)23(12-20-17)9-10-26-15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12H,9-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.6728 kcal/mol

Physical Properties
Molecular Weight: 350.378 g/mol	logS: -4.41093	SlogP: 3.0235	Reactive groups: 0

Topological Properties
Globularity: 0.0782328	Sterimol/B1: 2.68576	Sterimol/B2: 4.44463	Sterimol/B3: 5.15326
Sterimol/B4: 5.74408	Sterimol/L: 18.3192

Surface and Volume Properties
Accessible surface: 604.466	Positive charged surface: 414.557	Negative charged surface: 178.342	Volume: 325.375
Hydrophobic surface: 509.66	Hydrophilic surface: 94.806

Pharmacophoric Properties
Hydrogen bond donors: 0	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.