MMsINC Database Search


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MMsINC code: MMs01612652

Type: Neutral
Formula: C₁₅H₁₃NO₅

SMILES:

O1c2c(cc([N+](=O)[O-])cc2COc2ccccc2)COC1

InChI:

InChI=1/C15H13NO5/c17-16(18)13-6-11-8-19-10-21-15(11)12(7-13)9-20-14-4-2-1-3-5-14/h1-7H,8-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6113 kcal/mol

Physical Properties
Molecular Weight: 287.271 g/mol	logS: -4.01431	SlogP: 3.5731	Reactive groups: 0

Topological Properties
Globularity: 0.0119673	Sterimol/B1: 2.45777	Sterimol/B2: 2.70149	Sterimol/B3: 4.86324
Sterimol/B4: 6.56496	Sterimol/L: 14.6618

Surface and Volume Properties
Accessible surface: 505.753	Positive charged surface: 278.977	Negative charged surface: 226.777	Volume: 254.875
Hydrophobic surface: 364.802	Hydrophilic surface: 140.951

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.