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MMsINC code: MMs00105275

Type: Neutral
Formula: C₁₉H₂₁N₃O₃

SMILES:

OC1=C(C(=O)C)C(N(CCCn2ccnc2)C1=O)c1ccc(cc1)C

InChI:

InChI=1/C19H21N3O3/c1-13-4-6-15(7-5-13)17-16(14(2)23)18(24)19(25)22(17)10-3-9-21-11-8-20-12-21/h4-8,11-12,17,24H,3,9-10H2,1-2H3/t17-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.5486 kcal/mol

Physical Properties
Molecular Weight: 339.395 g/mol	logS: -3.07032	SlogP: 2.92812	Reactive groups: 1

Topological Properties
Globularity: 0.160043	Sterimol/B1: 2.43717	Sterimol/B2: 3.57075	Sterimol/B3: 4.95278
Sterimol/B4: 9.21	Sterimol/L: 15.9174

Surface and Volume Properties
Accessible surface: 596.947	Positive charged surface: 393.32	Negative charged surface: 203.627	Volume: 330.125
Hydrophobic surface: 444.016	Hydrophilic surface: 152.931

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs00105278
ASINEX-ZINC00273484